CID 24212853

N-(3-bromophenyl)-2-(2,4,6-trichlorophenoxy)acetamide

Structural Information

Molecular Formula
C14H9BrCl3NO2
SMILES
C1=CC(=CC(=C1)Br)NC(=O)COC2=C(C=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C14H9BrCl3NO2/c15-8-2-1-3-10(4-8)19-13(20)7-21-14-11(17)5-9(16)6-12(14)18/h1-6H,7H2,(H,19,20)
InChIKey
SVMCILSWQNOZIT-UHFFFAOYSA-N
Compound name
N-(3-bromophenyl)-2-(2,4,6-trichlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.8882 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.89548 172.5
[M+Na]+ 429.87742 186.0
[M-H]- 405.88092 180.2
[M+NH4]+ 424.92202 188.8
[M+K]+ 445.85136 171.0
[M+H-H2O]+ 389.88546 173.1
[M+HCOO]- 451.88640 180.5
[M+CH3COO]- 465.90205 215.7
[M+Na-2H]- 427.86287 176.0
[M]+ 406.88765 195.2
[M]- 406.88875 195.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.